4-({2-[4-(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
4-({2-[4-(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0962 |
| Compound Name: | 4-({2-[4-(5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethoxy}methyl)benzonitrile |
| Molecular Weight: | 544.07 |
| Molecular Formula: | C26 H30 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(c(n(C)n1)[Cl])S(N1CCN(CC1)CC(c1cccc(c1)OC)OCc1ccc(C#N)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3022 |
| logD: | 2.3015 |
| logSw: | -3.1634 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.191 |
| InChI Key: | SNEMTOUOWVGUEZ-DEOSSOPVSA-N |